2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C10H13N7OS2 — CID 47137294

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nnnn2C2CC2)s1
InChIInChI=1S/C10H13N7OS2/c1-2-8-12-13-9(20-8)11-7(18)5-19-10-14-15-16-17(10)6-3-4-6/h6H,2-5H2,1H3,(H,11,13,18)
InChIKeyGJZUFQKBGWEDJW-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.15
Rot. Bonds6

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 47137294) has the molecular formula C10H13N7OS2 and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID47137294
Molecular FormulaC10H13N7OS2
Molecular Weight311.40 g/mol
Exact Mass311.06
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nnnn2C2CC2)s1
InChIInChI=1S/C10H13N7OS2/c1-2-8-12-13-9(20-8)11-7(18)5-19-10-14-15-16-17(10)6-3-4-6/h6H,2-5H2,1H3,(H,11,13,18)
InChIKeyGJZUFQKBGWEDJW-UHFFFAOYSA-N
XLogP1.15
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 47137294) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CSc2nnnn2C2CC2)s1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is GJZUFQKBGWEDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7OS2/c1-2-8-12-13-9(20-8)11-7(18)5-19-10-14-15-16-17(10)6-3-4-6/h6H,2-5H2,1H3,(H,11,13,18).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 311.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 47137294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).